SCHEMBL928018

SCHEMBL928018

CCOC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C1CCC(C2)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.47
CNR1 P21554 7/20 0.47
CXCR2 P25025 3/20 0.43
CXCR4 P61073 3/20 0.43
HPGD P15428 4/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL927694 0.87 CNR2 (0.49) CNR2CNR1MAPTTP53PDE4B
SCHEMBL926847 0.87 CNR2 (0.46) CNR2CNR1CXCR2CXCR4HPGD
SCHEMBL927543 0.87 CNR2 (0.62) CNR2CNR1MAPTTP53PDE4B
SCHEMBL926772 0.83 CNR2 (0.46) CNR2CNR1HPGDHSD17B10KDM4E
SCHEMBL2162158 0.81 CNR2 (0.52) CNR2CNR1CXCR2CXCR4HPGD
SCHEMBL926829 0.81 CNR2 (0.63) CNR2CNR1PDE4B
SCHEMBL928719 0.81 CNR2 (0.46) CNR2CNR1HPGDMAPK1NPSR1
SCHEMBL928431 0.77 CNR2 (0.53) CNR2CNR1MAPTTP53PDE4B
SCHEMBL930026 0.75 CNR2 (0.62) CNR2CNR1MAPTTP53PDE4B
SCHEMBL927272 0.75 MAPT (0.47) CNR2CNR1HPGDMAPK1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868038-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-01-11 US claimed
US-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 US claimed
US-8598224-B2 Method for treating cannabinoid receptor related diseases with cannabinoid receptor ligands ABBVIE INC. (US) 2013-12-03 US disclosed
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7868038-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-01-11 US disclosed
US-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 CNR2 2/4885CNR1 1/4885CXCR2 407/4885
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 CNR2 2/4885CNR1 1/4885CXCR2 407/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.